3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxysulfanyl-propanamide

Systemtic Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxysulfanyl-propanamide Openeye Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxysulfanyl-propanamide CAS Name: 1-amino-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-1-oxo-2-propanesulfenic acid IUPAC Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxysulfanylpropanamide Traditional Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-(ethoxythio)propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOSC(CC1=CC=C(C=C1)OCCN(C)C2=NC3=CC=CC=C3O2)C(=O)N

Isomeric SMILES

CCOSC(CC1=CC=C(C=C1)OCCN(C)C2=NC3=CC=CC=C3O2)C(=O)N

InChI

InChI=1S/C21H25N3O4S/c1-3-27-29-19(20(22)25)14-15-8-10-16(11-9-15)26-13-12-24(2)21-23-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H2,22,25)